N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine

C16H20N6O — CID 126918612

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine (PubChem CID 126918612) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
• PubChem CID: 126918612
• Molecular Formula: C16H20N6O
• Molecular Weight: 312.38 g/mol
• Exact Mass: 312.17
• IUPAC Name: N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine
• SMILES: COc1ccnc(NCC2CN(c3cc4c(nn3)CCC4)C2)n1
• InChI: InChI=1S/C16H20N6O/c1-23-15-5-6-17-16(19-15)18-8-11-9-22(10-11)14-7-12-3-2-4-13(12)20-21-14/h5-7,11H,2-4,8-10H2,1H3,(H,17,18,19)
• InChIKey: XAGDSGMLBLXLEW-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 76.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.38
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?

The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine (CID 126918612) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine.

What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?

The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine is COc1ccnc(NCC2CN(c3cc4c(nn3)CCC4)C2)n1.

What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?

The InChIKey is XAGDSGMLBLXLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O/c1-23-15-5-6-17-16(19-15)18-8-11-9-22(10-11)14-7-12-3-2-4-13(12)20-21-14/h5-7,11H,2-4,8-10H2,1H3,(H,17,18,19).

What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine?

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine has a molecular weight of 312.38 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-4-methoxypyrimidin-2-amine is sourced from PubChem (CID 126918612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).